SCHEMBL997595

SCHEMBL997595

O=C(Nc1cccnc1)c1cccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.54
▸ CYP11B2 P19099 1/20 0.54
▸ NAMPT P43490 5/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ SLC2A1 P11166 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HIF1A Q16665 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL995639 0.89 NAMPT (0.67) CYP11B1CYP11B2NAMPTMEN1KMT2A
SCHEMBL1078986 0.82 NAMPT (0.78) NAMPTMEN1KMT2AMAPTLMNA
SCHEMBL996338 0.81 TSHR (0.67) NAMPTMEN1KMT2AMAPTLMNA
SCHEMBL12077633 0.79 NAMPT (0.82) NAMPTMEN1KMT2AMAPTLMNA
SCHEMBL11303710 0.78 TSHR (0.65) NAMPTMEN1KMT2AMAPTLMNA
SCHEMBL14488390 0.78 MAPT (0.65) NAMPTMEN1KMT2AMAPTLMNA
SCHEMBL998913 0.78 NAMPT (0.64) NAMPTMEN1KMT2AMAPTLMNA
SCHEMBL12078635 0.77 NAMPT (0.73) CYP11B1CYP11B2NAMPTMEN1KMT2A
SCHEMBL13702147 0.75 TSHR (0.58) NAMPTMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL22275143 0.74 LMNA (0.59) CYP11B1CYP11B2NAMPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079859-B2 Synthetic lethal targeting of glucose transport AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-14 — — US claimed
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT RUGA CORPORATION 2014-05-08 — — US claimed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 — — EP claimed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 — — WO claimed
US-9079859-B2 Synthetic lethal targeting of glucose transport AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-14 — — US disclosed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 — — EP disclosed
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT RUGA CORPORATION 2014-05-08 — — US disclosed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS CYP11B1 1543/4885CYP11B2 862/4885NAMPT 624/4885
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT SLC2A1, SLC2A3, SLC2A2 CYP11B1 1872/4885CYP11B2 2191/4885NAMPT 601/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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